I'm trying to make and run vasp ..
Posted: Mon Jan 16, 2012 2:47 pm
[root@localhost 1_10_H2Omd]# vasp
vasp.5.2.2 15Apr09 complex
POSCAR found : 2 types and 3 ions
LDA part: xc-table for Pade appr. of Perdew
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| VASP found 6 degrees of freedom |
| the temperature will equal 2*E(kin)/ (degrees of freedom) |
| this differs from previous releases, where T was 2*E(kin)/(3 NIONS). |
| The new definition is more consistent |
| |
-----------------------------------------------------------------------------
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
prediction of wavefunctions initialized
entering main loop
N E dE d eps ncg rms rms(c)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Stack trace terminated abnormally.
[root@localhost 1_10_H2Omd]#
My PC's CPU is Nehalem (Core i7-2600k 3.4GHz) have 8cores.
Single system in Vmware .
Number of processors =2
Core per processors =2
I'm trying with makefile.linux_ifc_P4 and my vasp version is 5.2
and compiler is intel fortran composerXE 2011.8.273
BLAS = /usr/lib/libblas.so
Sorry about my poor knowledge and English....
and Thank you for reading.
vasp.5.2.2 15Apr09 complex
POSCAR found : 2 types and 3 ions
LDA part: xc-table for Pade appr. of Perdew
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| VASP found 6 degrees of freedom |
| the temperature will equal 2*E(kin)/ (degrees of freedom) |
| this differs from previous releases, where T was 2*E(kin)/(3 NIONS). |
| The new definition is more consistent |
| |
-----------------------------------------------------------------------------
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
prediction of wavefunctions initialized
entering main loop
N E dE d eps ncg rms rms(c)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Stack trace terminated abnormally.
[root@localhost 1_10_H2Omd]#
My PC's CPU is Nehalem (Core i7-2600k 3.4GHz) have 8cores.
Single system in Vmware .
Number of processors =2
Core per processors =2
I'm trying with makefile.linux_ifc_P4 and my vasp version is 5.2
and compiler is intel fortran composerXE 2011.8.273
BLAS = /usr/lib/libblas.so
Sorry about my poor knowledge and English....
and Thank you for reading.